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Information card for entry 1503374
Preview
| Coordinates | 1503374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | toste06 |
|---|---|
| Chemical name | toste06 |
| Formula | C93 H81 Au Cl O9 P |
| Calculated formula | C93 H81 Au Cl O9 P |
| SMILES | [Au](Cl)[P](Oc1ccc2c(cccc2)c1c1c2ccccc2ccc1OC(=O)C12CC3CC(CC(C1)C3)C2)(Oc1ccc2ccccc2c1c1c2ccccc2ccc1OC(=O)C12CC3CC(CC(C1)C3)C2)Oc1ccc2ccccc2c1c1c2ccccc2ccc1OC(=O)C12CC3CC(CC(C1)C3)C2 |
| Title of publication | Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes. |
| Authors of publication | González, Ana Z; Toste, F. Dean |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 200 - 203 |
| a | 15.923 ± 0.002 Å |
| b | 15.923 ± 0.002 Å |
| c | 18.741 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4115 ± 1 Å3 |
| Cell temperature | 288 ± 2 K |
| Ambient diffraction temperature | 288 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.1626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1503374.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503374.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503374.cif |
| 37248 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503374 via cif-deposit CGI script. |
1503374.cif |
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